2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C14H13ClN6O2 — CID 46582904

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2nnc(-c3ccc(Cl)cc3)n2)on1
InChIInChI=1S/C14H13ClN6O2/c1-8-7-12(23-19-8)16-14(22)9(2)21-18-13(17-20-21)10-3-5-11(15)6-4-10/h3-7,9H,1-2H3,(H,16,22)
InChIKeyRZJQDTVJAGCIKO-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.49
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 46582904) has the molecular formula C14H13ClN6O2 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID46582904
Molecular FormulaC14H13ClN6O2
Molecular Weight332.75 g/mol
Exact Mass332.08
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)n2nnc(-c3ccc(Cl)cc3)n2)on1
InChIInChI=1S/C14H13ClN6O2/c1-8-7-12(23-19-8)16-14(22)9(2)21-18-13(17-20-21)10-3-5-11(15)6-4-10/h3-7,9H,1-2H3,(H,16,22)
InChIKeyRZJQDTVJAGCIKO-UHFFFAOYSA-N
XLogP2.49
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
CID 38874295
4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide
CID 38983810
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7489678
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
methyl 4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]propanoylamino]methyl]benzoate
CID 51311301
(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720301
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 46582904) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)C(C)n2nnc(-c3ccc(Cl)cc3)n2)on1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is RZJQDTVJAGCIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c1-8-7-12(23-19-8)16-14(22)9(2)21-18-13(17-20-21)10-3-5-11(15)6-4-10/h3-7,9H,1-2H3,(H,16,22).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 332.75 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 46582904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).